null

SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1

InChI Key InChIKey=JDBCWSHYEQUBLW-AATRIKPKSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50108052   

TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataKi:  3nMAssay Description:Inhibition of human CYP1B1 using ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 2.40E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CGDPubMed
TargetTyrosinase(Homo sapiens (Human))
Chulalongkorn University

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of tyrosinaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2348K00PubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9T1MPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in Escherichia coli DH5alpha using ethoxyresorufin as substrate preincubated for 3 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5alpha using ethoxyresorufin as substrate preincubated for 3 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5alpha using ethoxyresorufin as substrate preincubated for 3 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V1284KPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V1284KPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V1284KPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 300nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
In DepthDetails
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 8.20nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 1A1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 209nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 1A1(Homo sapiens (Human))
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CGDPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CGDPubMed